(2Z)-2-(2H-chromen-3-ylmethylidene)-6-[(2-methoxyphenyl)methoxy]-2,3-dihydro-1-benzofuran-3-one

• ChemBase ID: 209332
• Molecular Formular: C26H20O5
• Molecular Mass: 412.434
• Monoisotopic Mass: 412.13107374
• SMILES: C\1(=C\C2=Cc3c(OC2)cccc3)/C(=O)c2c(O1)cc(OCc1c(OC)cccc1)cc2
• Canonical SMILES: COc1ccccc1COc1ccc2c(c1)O/C(=C\C1=Cc3c(OC1)cccc3)/C2=O
• InChI: InChI=1S/C26H20O5/c1-28-22-8-4-3-7-19(22)16-29-20-10-11-21-24(14-20)31-25(26(21)27)13-17-12-18-6-2-5-9-23(18)30-15-17/h2-14H,15-16H2,1H3/b25-13-
• InChIKey: OZRBWRRFGNXCPN-MXAYSNPKSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2Z)-2-(2H-chromen-3-ylmethylidene)-6-[(2-methoxyphenyl)methoxy]-2,3-dihydro-1-benzofuran-3-one
• IUPAC Traditional name: (2Z)-2-(2H-chromen-3-ylmethylidene)-6-[(2-methoxyphenyl)methoxy]-1-benzofuran-3-one

Database IDs

• PubChem SID: 164265242
• PubChem CID: 1786242

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 4.4621167
• LogD (pH = 7.4): 4.4621167
• Log P: 4.4621167
• Molar Refractivity: 119.1625 cm^3
• Polarizability: 45.128895 Å^3
• Polar Surface Area: 53.99 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds